Abstract

Background: Recognizing effects of static magnetic field (SMF) of varying flux density on flora and fauna is attempted. For this purpose the influence of SMF upon the porphine molecule is studied. Methods: Computations of the effect of static magnetic field (SMF) of 0.0, 0.1, 1, 10 and 100 AFU (1 AFU > 1000 T) flux density were performed in silico for SMF changes distribution of the electron density in that molecule. HyperChem 8.0 software was used together with the AM1 method for optimization of the conformation of the molecule of porphine. The computations of polarizability, charge distribution, potential and dipole moment for molecules placed in SMF were performed for molecule situated subsequently in the x-y, y-z and x-z planes of the Cartesian system. The computations involved the DFT 3-21G method. Results: Static magnetic field (SMF) decreased stability of the porphine molecule. This effect depended on the situating the molecule in respect to the direction of SMF of the Cartesian system. An increase in the value of heat of formation was accompanied by an increase in dipole moment. Conclusions: Observed effects resulted from deformations of the molecule which involved pyrrole rings holding the hydrogen atoms at the ring nitrogen atoms and the length of the C–H and N–H bonds. In a consequence that macrocyclic ring lost its planarity.

Addeddate

2024-08-29 05:18:54

Bhl_virtual_titleid

210883

Bhl_virtual_volume

v.18 (2022)

Call number

10_3897_biorisk_18_80607

Call-number

10_3897_biorisk_18_80607

Foldoutcount

0

Genre

article

Identifier

potentialriskre18ciesb

Identifier-ark

ark:/13960/s2wr3x1bp4w

Identifier-bib

10_3897_biorisk_18_80607

Identifier-doi

10.3897/biorisk.18.80607

Ocr

tesseract 5.3.0-6-g76ae

Ocr_detected_lang

en

Ocr_detected_lang_conf

1.0000

Ocr_detected_script

Latin

Ocr_detected_script_conf

0.8137

Ocr_module_version

0.0.21

Ocr_parameters

-l eng

Page_number_confidence

68

Page_number_module_version

1.0.5

Page_range

93-104

Pages

12

Pdf_degraded

invalid-jp2-headers

Pdf_module_version

0.0.25

Possible copyright status

In copyright. Digitized with the permission of the rights holder.

Ppi

300

Source

BioRisk 18

Year

2022

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